tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methyl]carbamate

C20H41NO3Si — CID 22106783

IUPACtert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methyl]carbamate
SMILESCC(O[Si](C)(C)C(C)(C)C)C1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H41NO3Si/c1-15(24-25(8,9)20(5,6)7)17-12-10-16(11-13-17)14-21-18(22)23-19(2,3)4/h15-17H,10-14H2,1-9H3,(H,21,22)
InChIKeyZYHCLUWCXSIFFF-UHFFFAOYSA-N
MW371.64 g/mol
LogP5.73
Rot. Bonds5

About tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methyl]carbamate

tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methyl]carbamate (PubChem CID 22106783) has the molecular formula C20H41NO3Si and a molecular weight of 371.64 g/mol. Its IUPAC name is tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methyl]carbamate
PubChem CID22106783
Molecular FormulaC20H41NO3Si
Molecular Weight371.64 g/mol
Exact Mass371.29
IUPAC Nametert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methyl]carbamate
SMILESCC(O[Si](C)(C)C(C)(C)C)C1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H41NO3Si/c1-15(24-25(8,9)20(5,6)7)17-12-10-16(11-13-17)14-21-18(22)23-19(2,3)4/h15-17H,10-14H2,1-9H3,(H,21,22)
InChIKeyZYHCLUWCXSIFFF-UHFFFAOYSA-N
XLogP5.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.64
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methyl]carbamate (CID 22106783) is tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methyl]carbamate is CC(O[Si](C)(C)C(C)(C)C)C1CCC(CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methyl]carbamate?
The InChIKey is ZYHCLUWCXSIFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3Si/c1-15(24-25(8,9)20(5,6)7)17-12-10-16(11-13-17)14-21-18(22)23-19(2,3)4/h15-17H,10-14H2,1-9H3,(H,21,22).
What are the key properties of tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methyl]carbamate has a molecular weight of 371.64 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 22106783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).